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1016241-78-3 | 3-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS No: 1016241-78-3 Catalog No: AG003AWI MDL No:
Product Description
Catalog Number:
AG003AWI
Chemical Name:
3-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS Number:
1016241-78-3
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
IUPAC Name:
3-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-5-4-2-1-3-10-7(4)11-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
OQJOLHZGFNPOQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1F)cccn2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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